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Murcko scaffold

Ring system with 3 rings and 19 atoms

183 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
183
With full pages
8
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(C=Cc3ccccc3)nc2[nH]1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold O=c1[nH]c(=O)c2[nH]c(C=Cc3ccccc3)nc2[nH]1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 48 of 183 chemicals

Istradefylline impurity 2 chemical structure, C20H24N4O4, CAS 861387-30-6
Istradefylline impurity 2
CAS 861387-30-6C20H24N4O4
Istradefylline chemical structure, C20H24N4O4, CAS 155270-99-8
Istradefylline
CAS 155270-99-8C20H24N4O4
8-(3-Chlorostyryl)caffeine chemical structure, C16H15ClN4O2, CAS 148589-13-3
8-(3-Chlorostyryl)caffeine
CAS 148589-13-3C16H15ClN4O2
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(3-nitrophenyl)ethenyl)-, (E)- chemical structure, C19H21N5O4, CAS 151539-32-1
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(3-nitrophenyl)ethenyl)-, (E)-
CAS 151539-32-1C19H21N5O4
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-methyl-8-(2-(3-nitrophenyl)ethenyl)-, (E)- chemical structure, C20H23N5O4, CAS 147700-41-2
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-methyl-8-(2-(3-nitrophenyl)ethenyl)-, (E)-
CAS 147700-41-2C20H23N5O4
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dimethoxyphenyl)ethenyl)-1,3-dimethyl-, (E)- chemical structure, C17H18N4O4, CAS 147700-16-1
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dimethoxyphenyl)ethenyl)-1,3-dimethyl-, (E)-
CAS 147700-16-1C17H18N4O4
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)-, hydrate (2:1) chemical structure, C18H20N4O5, CAS 147700-34-3
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)-, hydrate (2:1)
CAS 147700-34-3C18H20N4O5
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,5-dimethoxyphenyl)ethenyl)-1,3-dipropyl-, (E)- chemical structure, C21H26N4O4, CAS 147700-47-8
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,5-dimethoxyphenyl)ethenyl)-1,3-dipropyl-, (E)-
CAS 147700-47-8C21H26N4O4
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,5-dimethoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)- chemical structure, C22H28N4O4, CAS 151539-31-0
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,5-dimethoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-
CAS 151539-31-0C22H28N4O4
Tmsx C-11 chemical structure, C19H22N4O5, CAS 223745-98-0
Tmsx C-11
CAS 223745-98-0C19H22N4O5
8-((1E)-2-(3,4-Dimethoxyphenyl)ethenyl)-1,3-diethyl-3,9-dihydro-1H-purine-2,6-dione chemical structure, C19H22N4O4, CAS 155270-98-7
8-((1E)-2-(3,4-Dimethoxyphenyl)ethenyl)-1,3-diethyl-3,9-dihydro-1H-purine-2,6-dione
CAS 155270-98-7C19H22N4O4
3,7-Dihydro-1,3,7-trimethyl-8-((1E)-2-(3,4,5-trimethoxyphenyl)ethenyl)-1H-purine-2,6-dione chemical structure, C19H22N4O5, CAS 51389-37-8
3,7-Dihydro-1,3,7-trimethyl-8-((1E)-2-(3,4,5-trimethoxyphenyl)ethenyl)-1H-purine-2,6-dione
CAS 51389-37-8C19H22N4O5
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-methyl-8-(2-phenylethenyl)-, (E)- chemical structure, C20H24N4O2, CAS 141807-86-5
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-methyl-8-(2-phenylethenyl)-, (E)-
CAS 141807-86-5C20H24N4O2
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(4-methoxyphenyl)ethenyl)-7-methyl-, (E)- chemical structure, C21H26N4O3, CAS 141807-94-5
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(4-methoxyphenyl)ethenyl)-7-methyl-, (E)-
CAS 141807-94-5C21H26N4O3
KF-17837 chemical structure, C22H28N4O4, CAS 141807-96-7
KF-17837
CAS 141807-96-7C22H28N4O4
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)- chemical structure, C22H28N4O5, CAS 141807-97-8
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)-
CAS 141807-97-8C22H28N4O5
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-methyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-,(E)- chemical structure, C23H30N4O5, CAS 141807-98-9
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-methyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-,(E)-
CAS 141807-98-9C23H30N4O5
1H-Purine-2,6-dione, 3,7-dihydro-1,3-di-2-propenyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)- chemical structure, C22H24N4O5, CAS 142665-35-8
1H-Purine-2,6-dione, 3,7-dihydro-1,3-di-2-propenyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)-
CAS 142665-35-8C22H24N4O5
1H-Purine-2,6-dione, 3,7-dihydro-1,3-di-2-propenyl-7-methyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)- chemical structure, C23H26N4O5, CAS 142665-36-9
1H-Purine-2,6-dione, 3,7-dihydro-1,3-di-2-propenyl-7-methyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)-
CAS 142665-36-9C23H26N4O5
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)- chemical structure, C24H32N4O5, CAS 142665-37-0
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)-
CAS 142665-37-0C24H32N4O5
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-methyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-,(E)- chemical structure, C25H34N4O5, CAS 142665-38-1
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-methyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-,(E)-
CAS 142665-38-1C25H34N4O5
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dimethoxyphenyl)ethenyl)-1,3,7-trimethyl-, (E)- chemical structure, C18H20N4O4, CAS 147700-17-2
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dimethoxyphenyl)ethenyl)-1,3,7-trimethyl-, (E)-
CAS 147700-17-2C18H20N4O4
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-, (E)- chemical structure, C18H20N4O5, CAS 147700-32-1
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-, (E)-
CAS 147700-32-1C18H20N4O5
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-1,3,7-trimethyl-, (E)- chemical structure, C19H22N4O5, CAS 147700-33-2
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-1,3,7-trimethyl-, (E)-
CAS 147700-33-2C19H22N4O5